3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole

C38H28N2 — CID 174182442

IUPAC3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3c(-c4ccc(-n5c6ccccc6c6cc(C)ccc65)cc4)cccc32)cc1
InChIInChI=1S/C38H28N2/c1-25-14-19-28(20-15-25)40-35-12-6-4-9-32(35)38-30(10-7-13-37(38)40)27-17-21-29(22-18-27)39-34-11-5-3-8-31(34)33-24-26(2)16-23-36(33)39/h3-24H,1-2H3
InChIKeyPWZQOASFONRDQZ-UHFFFAOYSA-N
MW512.66 g/mol
LogP10.16
Rot. Bonds3

About 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole

3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole (PubChem CID 174182442) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole
PubChem CID174182442
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3c(-c4ccc(-n5c6ccccc6c6cc(C)ccc65)cc4)cccc32)cc1
InChIInChI=1S/C38H28N2/c1-25-14-19-28(20-15-25)40-35-12-6-4-9-32(35)38-30(10-7-13-37(38)40)27-17-21-29(22-18-27)39-34-11-5-3-8-31(34)33-24-26(2)16-23-36(33)39/h3-24H,1-2H3
InChIKeyPWZQOASFONRDQZ-UHFFFAOYSA-N
XLogP10.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline
CID 142724935
10-methyl-6-[4-(3-methylcarbazol-9-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 154980236
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795219
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 163433244
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole?
The IUPAC name of 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole (CID 174182442) is 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole.
What is the SMILES notation for 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole?
The canonical SMILES for 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole is Cc1ccc(-n2c3ccccc3c3c(-c4ccc(-n5c6ccccc6c6cc(C)ccc65)cc4)cccc32)cc1.
What is the InChIKey of 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole?
The InChIKey is PWZQOASFONRDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-25-14-19-28(20-15-25)40-35-12-6-4-9-32(35)38-30(10-7-13-37(38)40)27-17-21-29(22-18-27)39-34-11-5-3-8-31(34)33-24-26(2)16-23-36(33)39/h3-24H,1-2H3.
What are the key properties of 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole?
3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole has a molecular weight of 512.66 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole is sourced from PubChem (CID 174182442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).